ethyl 9-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylsulfanyl)-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylate

Systemtic Name: ethyl 9-(3,4-dihydro-1H-isoquinolin-2-ylcarbonylsulfanyl)-4-oxidanylidene-pyrido[1,2-a]pyrimidine-3-carboxylate Openeye Name: ethyl 9-(3,4-dihydro-1H-isoquinoline-2-carbonylsulfanyl)-4-oxo-pyrido[1,2-a]pyrimidine-3-carboxylate CAS Name: 9-[[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]thio]-4-oxo-3-pyrido[1,2-a]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 9-(3,4-dihydro-1H-isoquinoline-2-carbonylsulfanyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate Traditional Name: 9-(3,4-dihydro-1H-isoquinoline-2-carbonylthio)-4-keto-pyrido[1,2-a]pyrimidine-3-carboxylic acid ethyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H19N3O4S/c1-2-28-20(26)16-12-22-18-17(8-5-10-24(18)19(16)25)29-21(27)23-11-9-14-6-3-4-7-15(14)13-23/h3-8,10,12H,2,9,11,13H2,1H3